beryllium(2+) ion carbonate

• ChemBase ID: 126111
• Molecular Formular: CBeO3
• Molecular Mass: 69.021082
• Monoisotopic Mass: 68.99692606
• SMILES: [Be+2].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[Be+2]
• InChI: InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
• InChIKey: ZBUQRSWEONVBES-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: beryllium(2+) ion carbonate
• IUPAC Traditional name: beryllium(2+) ion carbonate
• Synonyms: Beryllium carbonate

Database IDs

• CAS Number: 13106-47-3
• PubChem SID: 162220452
• PubChem CID: 61577
• Chemspider ID: 55490
• Wikipedia Title: Beryllium_carbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 °C
• Boiling Point: 100 °C (decomp)
• Heat Capacity: 0.9417 J/K
• Std enthalpy of formation: -14.85 kJ/g

Safety Information

• RTECS: DS2350000
• LD50: 150 mg/kg (guinea pig)